SCHEMBL18504954

SCHEMBL18504954

NC(=O)C1CSSCCC(=O)N[C@@H](CCCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](c2cc[nH]c2)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 17/20 0.72
▸ ITGA2B P08514 13/20 0.72
▸ ITGAV P06756 9/20 0.72
▸ ITGB5 P18084 5/20 0.57
▸ ITGA5 P08648 4/20 0.57
▸ ITGB1 P05556 2/20 0.57
▸ F2 P00734 1/20 0.46
▸ ITGB8 P26012 1/20 0.45
▸ ST14 Q9Y5Y6 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16883935 1.00 ITGB3 (0.72) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL16883934 1.00 ITGB3 (0.72) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL24433369 1.00 ITGB3 (0.72) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL22194105 0.99 ITGB3 (0.71) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL24433360 0.92 ITGAV (0.60) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL16883930 0.87 ITGB3 (0.84) ITGB3ITGA2BITGAVITGB5ITGA5
SCHEMBL16883928 0.87 ITGB3 (0.84) ITGB3ITGA2BITGAVITGB5ITGA5
Eptifibatide SCHEMBL22193879 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB5ITGA5
Eptifibatide SCHEMBL16883987 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB5ITGA5
Eptifibatide SCHEMBL29353236 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAVITGB5ITGA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044236-A1 Integrin Antagonists THE GENERAL HOSPITAL CORPORATION 2017-02-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170044236-A1 Integrin Antagonists ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGA2B 7/4885ITGAV 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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